1.0 2016-05-25 18:15:23 UTC 2026-04-17 19:44:11 UTC Umbelliferone SmallMolecule Umbelliferone is an organic compound with the formula C9H6O3 and an average molecular weight of 162.14 g/mol. Umbelliferone belongs to the hydroxycoumarins, a subclass of coumarins and derivatives within the organic compounds. It is further classified within the superclass of phenylpropanoids and polyketides. Biologically, it serves as an antioxidant (PMC13294913). The compound is found in or released from 22 recorded sources across multiple sectors. These include electrical and electronic equipment, such as batteries, capacitors, cell phones, printed circuit boards, and wires and cables, as well as four additional sources in that sector. In the food, food processing and cookware sector, it is associated with food contact materials, food packaging, and the preparation of malt, vinegar, and wine or sparkling wine. It is also found in lubricants within the energy, oil and gas sector, medical devices in the healthcare, pharmaceuticals and veterinary products sector, and synthetic textiles, carpets and rugs in the textiles, leather and furnishings sector. Additionally, it is present in drinking water and water supply, along with three more sectors. Recorded exposure routes for the compound include oral, inhalation, and touch. PFAS Phytotoxin 7-hydroxycoumarine Gummosinin C9H6O3 162.144 162.031694053 7-hydroxy-2H-chromen-2-one umbelliferone 93-35-6 OC1=CC2=C(C=C1)C=CC(=O)O2 InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H ORHBXUUXSCNDEV-UHFFFAOYSA-N Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins 7-hydroxycoumarins 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 7-hydroxycoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Aromatic heteropolycyclic compounds a coumarin coumarins hydroxycoumarin Detected and Not Quantified logp 1.85 ALOGPS logs -1.57 ALOGPS solubility 4.38e+00 g/l ALOGPS logp 1.48 ChemAxon pka_strongest_acidic 7.84 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 7-hydroxy-2H-chromen-2-one ChemAxon average_mass 162.144 ChemAxon mono_mass 162.031694053 ChemAxon smiles OC1=CC2=C(C=C1)C=CC(=O)O2 ChemAxon formula C9H6O3 ChemAxon inchi InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H ChemAxon inchikey ORHBXUUXSCNDEV-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 43.53 ChemAxon polarizability 15.37 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72262b8848> 5281426 4444774